Size and Origins of Long-Range Orientational Water Correlations in Dilute Aqueous Salt Solutions

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F17%3A00474220" target="_blank" >RIV/61388955:_____/17:00474220 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388963:_____/17:00474220

Výsledek na webu

<a href="http://dx.doi.org/10.1021/acs.jpclett.7b00727" target="_blank" >http://dx.doi.org/10.1021/acs.jpclett.7b00727</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpclett.7b00727" target="_blank" >10.1021/acs.jpclett.7b00727</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Size and Origins of Long-Range Orientational Water Correlations in Dilute Aqueous Salt Solutions

Popis výsledku v původním jazyce

Long-range ordering of water around solutes has been repeatedly invoked as the key to its biological function. Recently, it has been shown that in an 8 mM aqueous NaCl solution the orientational correlation between water molecules extends beyond 8 nm. This was interpreted as arising from ion-induced long-range effects on the water collective hydrogen-bond interactions. Each ion was suggested to affect >10 000 water molecules, leading to a picture involving nanoscopic „ordered domains“. Using molecular dynamics simulations, we show that the very small long-range tail in the correlation function is caused primarily by pairs of water molecules belonging to different ions´ hydration shells and can be made to practically disappear by rearranging the ionic positions. This means that the ion induced water orientational ordering in millimolar salt solutions cannot be separated from ion ion interaction effects, for which the Debye-Hiickel screening length shrinks to less than 1 nm at physiological ionic strengths.

Název v anglickém jazyce

Size and Origins of Long-Range Orientational Water Correlations in Dilute Aqueous Salt Solutions

Popis výsledku anglicky

Long-range ordering of water around solutes has been repeatedly invoked as the key to its biological function. Recently, it has been shown that in an 8 mM aqueous NaCl solution the orientational correlation between water molecules extends beyond 8 nm. This was interpreted as arising from ion-induced long-range effects on the water collective hydrogen-bond interactions. Each ion was suggested to affect >10 000 water molecules, leading to a picture involving nanoscopic „ordered domains“. Using molecular dynamics simulations, we show that the very small long-range tail in the correlation function is caused primarily by pairs of water molecules belonging to different ions´ hydration shells and can be made to practically disappear by rearranging the ionic positions. This means that the ion induced water orientational ordering in millimolar salt solutions cannot be separated from ion ion interaction effects, for which the Debye-Hiickel screening length shrinks to less than 1 nm at physiological ionic strengths.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry Letters

ISSN

1948-7185

e-ISSN

—

Svazek periodika

8

Číslo periodika v rámci svazku

9

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

5

Strana od-do

2031-2035

Kód UT WoS článku

000400885600018

EID výsledku v databázi Scopus

2-s2.0-85018785153